Cas no 1205-40-9 (2-Chloro-N-phenylaniline)
2-Chloro-N-phenylaniline Chemical and Physical Properties
Names and Identifiers
-
- 2-Chloro-N-phenylaniline
- Benzenamine,2-chloro-N-phenyl-
- n-(2-chlorophenyl)aniline
- 2-Chlorodiphenylamine
- AC-20809
- FT-0602232
- Benzenamine, 2-chloro-N-phenyl-
- CS-0453990
- 2-chlorophenylaniline
- AKOS005257313
- SCHEMBL3279472
- SB77864
- 1205-40-9
- SY244001
- CASDLXCHUTYPAO-UHFFFAOYSA-N
- DTXSID90423744
- MFCD01027199
- N-PHENYL-2-CHLOROANILINE
- (2-Chloro-phenyl)-phenyl-amine
- CL8454
- AS-46033
- BBL101157
- STL554953
-
- MDL: MFCD01027199
- Inchi: 1S/C12H10ClN/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H
- InChI Key: CASDLXCHUTYPAO-UHFFFAOYSA-N
- SMILES: ClC1C=CC=CC=1NC1C=CC=CC=1
Computed Properties
- Exact Mass: 203.05000
- Monoisotopic Mass: 203.0501770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 12?2
Experimental Properties
- Density: 1.216±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 100-101 oC
- Boiling Point: 304°C at 760 mmHg
- Flash Point: 137.6°C
- Refractive Index: 1.642
- Solubility: Almost insoluble (0.026 g/l) (25 o C),
- PSA: 12.03000
- LogP: 4.15660
- Vapor Pressure: 0.0±0.6 mmHg at 25°C
2-Chloro-N-phenylaniline Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
2-Chloro-N-phenylaniline Customs Data
- HS CODE:2921440000
- Customs Data:
China Customs Code:
2921440000Overview:
2921440000. Diphenylamine and its derivatives and their salts. VAT:17.0%. Tax refund rate:17.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2921440000. diphenylamine and its derivatives; salts thereof. VAT:17.0%. Tax rebate rate:17.0%. . MFN tariff:6.5%. General tariff:30.0%
2-Chloro-N-phenylaniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 210544-1g |
2-Chloro-N-phenylaniline |
1205-40-9 | 95% | 1g |
£54.00 | 2022-03-01 | |
| Fluorochem | 210544-5g |
2-Chloro-N-phenylaniline |
1205-40-9 | 95% | 5g |
£162.00 | 2022-03-01 | |
| Fluorochem | 210544-25g |
2-Chloro-N-phenylaniline |
1205-40-9 | 95% | 25g |
£488.00 | 2022-03-01 | |
| Alichem | A013027873-250mg |
N-phenyl-2-chloroaniline |
1205-40-9 | 97% | 250mg |
$480.00 | 2023-09-04 | |
| Alichem | A013027873-500mg |
N-phenyl-2-chloroaniline |
1205-40-9 | 97% | 500mg |
$815.00 | 2023-09-04 | |
| Alichem | A013027873-1g |
N-phenyl-2-chloroaniline |
1205-40-9 | 97% | 1g |
$1475.10 | 2023-09-04 | |
| TRC | C379558-250mg |
2-Chloro-N-phenylaniline |
1205-40-9 | 250mg |
$ 50.00 | 2022-06-06 | ||
| TRC | C379558-500mg |
2-Chloro-N-phenylaniline |
1205-40-9 | 500mg |
$ 70.00 | 2022-06-06 | ||
| TRC | C379558-2.5g |
2-Chloro-N-phenylaniline |
1205-40-9 | 2.5g |
$ 250.00 | 2022-06-06 | ||
| Apollo Scientific | OR55250-1g |
2-Chlorodiphenylamine |
1205-40-9 | 1g |
£90.00 | 2025-02-20 |
2-Chloro-N-phenylaniline Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
Additional information on 2-Chloro-N-phenylaniline
Professional Introduction to 2-Chloro-N-phenylaniline (CAS No. 1205-40-9)
2-Chloro-N-phenylaniline, with the chemical formula C?H?ClN, is a significant compound in the field of organic chemistry and pharmaceutical research. Its CAS number, CAS No. 1205-40-9, uniquely identifies it in scientific literature and industrial applications. This compound serves as a crucial intermediate in the synthesis of various pharmacologically active molecules, making it a subject of extensive study and interest.
The structure of 2-Chloro-N-phenylaniline consists of a phenyl ring substituted with an amino group at the para position and a chlorine atom at the ortho position relative to the amino group. This specific arrangement imparts unique reactivity, making it a valuable building block in medicinal chemistry. The presence of both electron-withdrawing and electron-donating groups on the aromatic ring allows for diverse functionalization, which is essential for developing new therapeutic agents.
In recent years, 2-Chloro-N-phenylaniline has garnered attention for its role in the synthesis of bioactive compounds. One notable area of research involves its application in the development of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. The chlorine atom at the ortho position enhances electrophilicity, facilitating nucleophilic substitution reactions that are pivotal in constructing complex molecular frameworks.
Moreover, studies have highlighted the compound's utility in designing antimicrobial agents. The interaction between the amino group and bacterial cell walls has been explored as a potential mechanism for combating resistant strains. Researchers have leveraged the reactivity of 2-Chloro-N-phenylaniline to create novel derivatives with enhanced antibacterial properties, demonstrating its versatility in drug discovery.
The pharmaceutical industry has also utilized 2-Chloro-N-phenylaniline as a precursor in synthesizing analgesics and anti-inflammatory drugs. Its structural motif is frequently incorporated into molecules that target pain signaling pathways, offering promising leads for next-generation therapeutics. The compound's ability to undergo further functionalization has enabled chemists to fine-tune its pharmacological profile, improving efficacy and reducing side effects.
Advances in computational chemistry have further expanded the applications of 2-Chloro-N-phenylaniline. Molecular modeling studies have predicted new derivatives with improved binding affinity to biological targets, guiding experimental efforts toward more effective drug candidates. These computational approaches have accelerated the drug discovery process, making compounds like 2-Chloro-N-phenylaniline indispensable in modern medicinal chemistry.
In addition to its pharmaceutical applications, 2-Chloro-N-phenylaniline finds use in materials science. Its ability to form stable complexes with metals has been exploited in designing catalysts for organic transformations. These catalysts are integral to green chemistry initiatives, promoting sustainable synthetic routes that minimize waste and energy consumption.
The synthesis of 2-Chloro-N-phenylaniline itself is an area of ongoing research. Recent developments have focused on optimizing reaction conditions to improve yield and purity while reducing environmental impact. Techniques such as flow chemistry and microwave-assisted synthesis have been employed to enhance production efficiency, aligning with global efforts toward sustainable manufacturing practices.
The future prospects of 2-Chloro-N-phenylaniline are promising, with continued exploration of its potential in various fields. As research progresses, new applications are likely to emerge, further solidifying its importance as a versatile chemical intermediate. The compound's unique properties make it a cornerstone in both academic research and industrial development, driving innovation across multiple scientific disciplines.
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